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Details

Stereochemistry ACHIRAL
Molecular Formula C3H9NO.2H2O
Molecular Weight 111.1402
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIMETHYLAMINE OXIDE DIHYDRATE

SMILES

O.O.C[N+](C)(C)[O-]

InChI

InChIKey=PGFPZGKEDZGJQZ-UHFFFAOYSA-N
InChI=1S/C3H9NO.2H2O/c1-4(2,3)5;;/h1-3H3;2*1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C3H9NO
Molecular Weight 75.1097
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
The reduced nicotinamide-adenine dinucleotide phosphate- and oxygen-dependent N-oxygenation of trimethylamine by Pseudomonas aminovorans.
1972 Jul
Potentiation of ferrous sulphate and ascorbate on the microbial transformation of endogenous trimethylamine N-oxide to trimethylamine and dimethylamine in squid extracts.
1989 Sep
Effect of inoculum size on the phenotypic characterization of Campylobacter species.
1991 May
Identification of a twin-arginine leader-binding protein.
2001 Apr
Trimethylamine oxide suppresses stress-induced alteration of organic anion transport in choroid plexus.
2007 Feb
Characterization of organic anion-transporting polypeptide (Oatp) 1a1 and 1a4 null mice reveals altered transport function and urinary metabolomic profiles.
2011 Aug
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:39:42 UTC 2023
Edited
by admin
on Fri Dec 15 16:39:42 UTC 2023
Record UNII
C73WZ0186W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIMETHYLAMINE OXIDE DIHYDRATE
Systematic Name English
TRIMETHYLAMINE N-OXIDE DIHYDRATE
MI  
Systematic Name English
TRIMETHYLAMINE OXIDE, DIHYDRATE
Systematic Name English
N,N-DIMETHYLMETHANAMINE OXIDE, DIHYDRATE
Systematic Name English
TRIMETHYLAMINE N-OXIDE DIHYDRATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
C73WZ0186W
Created by admin on Fri Dec 15 16:39:42 UTC 2023 , Edited by admin on Fri Dec 15 16:39:42 UTC 2023
PRIMARY
MERCK INDEX
m11151
Created by admin on Fri Dec 15 16:39:42 UTC 2023 , Edited by admin on Fri Dec 15 16:39:42 UTC 2023
PRIMARY Merck Index
CAS
62637-93-8
Created by admin on Fri Dec 15 16:39:42 UTC 2023 , Edited by admin on Fri Dec 15 16:39:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID00211694
Created by admin on Fri Dec 15 16:39:42 UTC 2023 , Edited by admin on Fri Dec 15 16:39:42 UTC 2023
PRIMARY
PUBCHEM
198430
Created by admin on Fri Dec 15 16:39:42 UTC 2023 , Edited by admin on Fri Dec 15 16:39:42 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE